| Compound Information | |
|---|---|
| ID | 320 |
| TrivialName | Notoginsenoside A |
| Type | C17-side chain varied |
| MF | C₅₄H₉₂O₂₄ |
| MolecularWeight | 1125.306 |
| IUPACName | (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(E,2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-6-methylhept-4-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| m/z | NT |
| Retention Time | NT |
| CCS | NT |
| Adducts | NT |
| Isomeric SMILES | CC(O)(C)/C=C/C[C@](C)(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](CO)O2)O1)C3CC[C@@]4(C)[C@]5(C)CC([H])C6C(C)(C)[C@@H](O[C@H]7[C@H](O[C@H]8[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O8)[C@@H](O)[C@H](O)[C@@H](CO)O7)CC[C@]6(C)C5C[C@@H](O)C43 |
| Canonical SMILES | CC(C)(O)C=CCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C |
| Source | PN |
| Functions | NT |
| Year | 1997 |
| References | |
| Structure |
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